3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one

C12H11FO2 — CID 131166122

IUPAC3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one
SMILESCOc1cc(F)cc(C2=CC(=O)CC2)c1
InChIInChI=1S/C12H11FO2/c1-15-12-6-9(4-10(13)7-12)8-2-3-11(14)5-8/h4-7H,2-3H2,1H3
InChIKeyQSPICLGNCDPZCE-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.58
Rot. Bonds2

About 3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one

3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one (PubChem CID 131166122) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one
PubChem CID131166122
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one
SMILESCOc1cc(F)cc(C2=CC(=O)CC2)c1
InChIInChI=1S/C12H11FO2/c1-15-12-6-9(4-10(13)7-12)8-2-3-11(14)5-8/h4-7H,2-3H2,1H3
InChIKeyQSPICLGNCDPZCE-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one?
The IUPAC name of 3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one (CID 131166122) is 3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one is COc1cc(F)cc(C2=CC(=O)CC2)c1.
What is the InChIKey of 3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one?
The InChIKey is QSPICLGNCDPZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c1-15-12-6-9(4-10(13)7-12)8-2-3-11(14)5-8/h4-7H,2-3H2,1H3.
What are the key properties of 3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one?
3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one has a molecular weight of 206.22 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 131166122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).